6-methoxy-3-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-methoxy-3-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-2H-1-benzopyran-2-one
6-methoxy-3-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-2H-1-benzopyran-2-one
Compound characteristics
Compound ID: | K277-0025 |
Compound Name: | 6-methoxy-3-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-2H-1-benzopyran-2-one |
Molecular Weight: | 380.38 |
Molecular Formula: | C19 H12 N2 O5 S |
Smiles: | COc1ccc2c(C=C(C(=O)O2)c2nc(cs2)c2ccc(cc2)[N+]([O-])=O)c1 |
Stereo: | ACHIRAL |
logP: | 4.715 |
logD: | 4.715 |
logSw: | -4.735 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 71.548 |
InChI Key: | SFJITPUJDQAWTO-UHFFFAOYSA-N |